spiro[5.6]dodecan-12-amine

C12H23N — CID 15021866

IUPACspiro[5.6]dodecan-12-amine
SMILESNC1CCCCCC12CCCCC2
InChIInChI=1S/C12H23N/c13-11-7-3-1-4-8-12(11)9-5-2-6-10-12/h11H,1-10,13H2
InChIKeyHPNSGLDHIKIERK-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.23
Rot. Bonds

About spiro[5.6]dodecan-12-amine

spiro[5.6]dodecan-12-amine (PubChem CID 15021866) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is spiro[5.6]dodecan-12-amine.

Molecular Properties

Compound Namespiro[5.6]dodecan-12-amine
PubChem CID15021866
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Namespiro[5.6]dodecan-12-amine
SMILESNC1CCCCCC12CCCCC2
InChIInChI=1S/C12H23N/c13-11-7-3-1-4-8-12(11)9-5-2-6-10-12/h11H,1-10,13H2
InChIKeyHPNSGLDHIKIERK-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(8S)-spiro[2.5]octan-8-amine
CID 89147381
(8R)-spiro[2.5]octan-8-amine
CID 89147380
3-oxaspiro[5.5]undecan-11-amine
CID 83905754
8-azaspiro[4.5]decan-4-amine;dihydrochloride
CID 138106142
2-cycloheptyl-2-methylcycloheptan-1-amine
CID 160840107
2-spiro[3.5]nonan-9-ylethanamine
CID 83905636
1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine
CID 151791002
7-azaspiro[4.5]decane-4,7-diamine
CID 143166126
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
(2R)-spiro[2.3]hexan-2-amine
CID 124508890
spiro[2.3]hexan-2-amine
CID 55289803
5-iodospiro[5.5]undecane
CID 164989917

Frequently Asked Questions

What is the IUPAC name of spiro[5.6]dodecan-12-amine?
The IUPAC name of spiro[5.6]dodecan-12-amine (CID 15021866) is spiro[5.6]dodecan-12-amine.
What is the SMILES notation for spiro[5.6]dodecan-12-amine?
The canonical SMILES for spiro[5.6]dodecan-12-amine is NC1CCCCCC12CCCCC2.
What is the InChIKey of spiro[5.6]dodecan-12-amine?
The InChIKey is HPNSGLDHIKIERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c13-11-7-3-1-4-8-12(11)9-5-2-6-10-12/h11H,1-10,13H2.
What are the key properties of spiro[5.6]dodecan-12-amine?
spiro[5.6]dodecan-12-amine has a molecular weight of 181.32 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.6]dodecan-12-amine is sourced from PubChem (CID 15021866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).